3-[[5-fluoro-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(3-methoxyazetidin-1-yl)pyrazolo[1,5-a]pyridine

C26H25FN4O4 — CID 137404992

IUPAC3-[[5-fluoro-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(3-methoxyazetidin-1-yl)pyrazolo[1,5-a]pyridine
SMILESCOc1ccc(C2COc3cc(Cc4cnn5cc(N6CC(OC)C6)ccc45)cc(F)c3O2)cn1
InChIInChI=1S/C26H25FN4O4/c1-32-20-13-30(14-20)19-4-5-22-18(11-29-31(22)12-19)7-16-8-21(27)26-23(9-16)34-15-24(35-26)17-3-6-25(33-2)28-10-17/h3-6,8-12,20,24H,7,13-15H2,1-2H3
InChIKeyPZXQFSUJKHHRHI-UHFFFAOYSA-N
MW476.51 g/mol
LogP3.82
Rot. Bonds6

About 3-[[5-fluoro-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(3-methoxyazetidin-1-yl)pyrazolo[1,5-a]pyridine

3-[[5-fluoro-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(3-methoxyazetidin-1-yl)pyrazolo[1,5-a]pyridine (PubChem CID 137404992) has the molecular formula C26H25FN4O4 and a molecular weight of 476.51 g/mol. Its IUPAC name is 3-[[5-fluoro-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(3-methoxyazetidin-1-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[[5-fluoro-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(3-methoxyazetidin-1-yl)pyrazolo[1,5-a]pyridine
PubChem CID137404992
Molecular FormulaC26H25FN4O4
Molecular Weight476.51 g/mol
Exact Mass476.19
IUPAC Name3-[[5-fluoro-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(3-methoxyazetidin-1-yl)pyrazolo[1,5-a]pyridine
SMILESCOc1ccc(C2COc3cc(Cc4cnn5cc(N6CC(OC)C6)ccc45)cc(F)c3O2)cn1
InChIInChI=1S/C26H25FN4O4/c1-32-20-13-30(14-20)19-4-5-22-18(11-29-31(22)12-19)7-16-8-21(27)26-23(9-16)34-15-24(35-26)17-3-6-25(33-2)28-10-17/h3-6,8-12,20,24H,7,13-15H2,1-2H3
InChIKeyPZXQFSUJKHHRHI-UHFFFAOYSA-N
XLogP3.82
TPSA70.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[5-fluoro-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(3-methoxyazetidin-1-yl)pyrazolo[1,5-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-methoxyazetidin-1-yl)-3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 137404952
1-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]azetidin-3-ol
CID 137404996
5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
CID 126483972
6-(difluoromethyl)-3-[[(3R)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
CID 126484200
3-[[3-(6-ethoxy-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 137404914
[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]methanol
CID 137404979
N-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-4-nitropyridazin-3-amine
CID 137405124
5-[6-chloro-7-(imidazol-1-ylmethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-methoxypyridine
CID 126484048
5-[6-(imidazol-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-2-methoxypyridine
CID 172834777
2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile
CID 151607040
6-methoxy-3-[[2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazo[4,5-b]pyridine
CID 137405102
2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 126484097

Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(3-methoxyazetidin-1-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[[5-fluoro-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(3-methoxyazetidin-1-yl)pyrazolo[1,5-a]pyridine (CID 137404992) is 3-[[5-fluoro-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(3-methoxyazetidin-1-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[[5-fluoro-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(3-methoxyazetidin-1-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[[5-fluoro-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(3-methoxyazetidin-1-yl)pyrazolo[1,5-a]pyridine is COc1ccc(C2COc3cc(Cc4cnn5cc(N6CC(OC)C6)ccc45)cc(F)c3O2)cn1.
What is the InChIKey of 3-[[5-fluoro-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(3-methoxyazetidin-1-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is PZXQFSUJKHHRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O4/c1-32-20-13-30(14-20)19-4-5-22-18(11-29-31(22)12-19)7-16-8-21(27)26-23(9-16)34-15-24(35-26)17-3-6-25(33-2)28-10-17/h3-6,8-12,20,24H,7,13-15H2,1-2H3.
What are the key properties of 3-[[5-fluoro-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(3-methoxyazetidin-1-yl)pyrazolo[1,5-a]pyridine?
3-[[5-fluoro-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(3-methoxyazetidin-1-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 476.51 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(3-methoxyazetidin-1-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 137404992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).